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CHEBI:186360 - Sanchinoside B1

Default Structure
ChEBI IDCHEBI:186360
ChEBI NameSanchinoside B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O9
Net Charge0
Average Mass638.883
Monoisotopic Mass638.43938
SMILESC/C(=C\CCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
InChIInChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+
InChIKeySLPPUMWTJMNBCW-VXLYETTFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Sanchinoside B1 (CHEBI:186360) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[[3,12-dihydroxy-17-[(E)-6-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037129HMDB